4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine

C12H22N2O — CID 106314894

IUPAC4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine
SMILESCC1=CCCN(CC2(N)CCOCC2)C1
InChIInChI=1S/C12H22N2O/c1-11-3-2-6-14(9-11)10-12(13)4-7-15-8-5-12/h3H,2,4-10,13H2,1H3
InChIKeyBWJHBGZTTVGYLQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.15
Rot. Bonds2

About 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine

4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine (PubChem CID 106314894) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine
PubChem CID106314894
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine
SMILESCC1=CCCN(CC2(N)CCOCC2)C1
InChIInChI=1S/C12H22N2O/c1-11-3-2-6-14(9-11)10-12(13)4-7-15-8-5-12/h3H,2,4-10,13H2,1H3
InChIKeyBWJHBGZTTVGYLQ-UHFFFAOYSA-N
XLogP1.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine?
The IUPAC name of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine (CID 106314894) is 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine is CC1=CCCN(CC2(N)CCOCC2)C1.
What is the InChIKey of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine?
The InChIKey is BWJHBGZTTVGYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11-3-2-6-14(9-11)10-12(13)4-7-15-8-5-12/h3H,2,4-10,13H2,1H3.
What are the key properties of 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine?
4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine has a molecular weight of 210.32 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxan-4-amine is sourced from PubChem (CID 106314894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).